RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 5.0985 2.5419 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4579 1.5341 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 0.0816 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 -0.3161 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -0.5445 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8767 -0.8972 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 -0.8794 1.0807 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1436 -0.5202 1.4607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.2451 -0.9949 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6349 -2.6494 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 -3.5206 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -2.6349 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 -1.2752 -0.0357 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.5121 -0.1110 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 0.0487 0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -0.4174 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 -0.0174 2.8811 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3496 0.6711 2.0975 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7218 0.7629 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 1.6014 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6063 2.2233 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9899 2.9259 -1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 2.8207 -2.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 1.8825 -1.7902 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 3.5597 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 2.4751 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 2.3827 -0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8377 1.7187 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 1.7059 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 -0.5752 1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9029 -0.0804 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4723 -0.4630 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 -0.4962 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 -2.6482 -2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6396 -3.0202 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 -4.4599 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 -3.7599 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -2.5934 -0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 -2.9134 0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 -1.1860 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -0.2594 -1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 0.7877 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 -0.9788 2.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 -0.1752 3.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2051 2.1778 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9139 3.4815 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 3.2544 -3.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 8 4 1 0 13 9 1 0 19 15 1 0 24 20 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 9 33 1 6 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M CHG 1 13 1 M END